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(14E)-14-[(4-fluorophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C25H17N2OFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[(4-fluorophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-14-[(4-fluorophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC25H17N2OFS2
SmilesO=C(/C(/S1)=C\c(cc2)ccc2F)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C25H17FN2OS2/c26-17-10-7-15(8-11-17)14-21-24(29)28-23(20-6-3-13-30-20)19-12-9-16-4-1-2-5-18(16)22(19)27-25(28)31-21/h1-8,10-11,13-14,23H,9,12H2/t23-/m0/s1
InChIKPOAXYJYOLQMNQN-QHCPKHFHSA-N
TotalMolweight444.553
Molweight444.553
MonoisotopicMass444.076631
CLogP5.7748
CLogS-6.43
H Acceptors3
TotalSurfaceArea310.73
Relative PSA0.21224
PolarSurfaceArea86.21
Druglikeness2.2417
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.48387
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms2
Amides1
StereoConracemate

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